3,3-二甲基丁烷-2,2-二硫醇
TL;DR: 3,3-二甲基丁烷-2,2-二硫醇 (CAS 42342-68-7) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二甲基丁烷-2,2-二硫醇
3,3-dimethylbutane-2,2-dithiol
Also Known As: 3,3-dimethylbutane-2,2-dithiol, 3,3-Dimethyl-2,2-butanedithiol, 3,3-dimethyl-butane-2,2-dithiol, 2,2-Dimercapto-3,3-dimethyl-butan
| Molecular Formula | C6H14S2 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.0537 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 42342-68-7 |
|---|---|
| SMILES | CC(C)(C)C(C)(S)S |
| InChIKey | YXFWGDBZQSABDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基丁烷-2,2-二硫醇 (CAS 42342-68-7), with molecular formula C6H14S2 and molecular weight 150.05 g/mol. IUPAC: 3,3-dimethylbutane-2,2-dithiol.
Chemical Property Profile of 3,3-二甲基丁烷-2,2-二硫醇
Property Insights of 3,3-二甲基丁烷-2,2-二硫醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基丁烷-2,2-二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 3,3-二甲基丁烷-2,2-二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基丁烷-2,2-二硫醇 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-二甲基丁烷-2,2-二硫醇?
The CAS number of 3,3-二甲基丁烷-2,2-二硫醇 is 42342-68-7.
What is the molecular formula of 3,3-二甲基丁烷-2,2-二硫醇?
The molecular formula of 3,3-二甲基丁烷-2,2-二硫醇 is C6H14S2.
What is the molecular weight of 3,3-二甲基丁烷-2,2-二硫醇?
The molecular weight of 3,3-二甲基丁烷-2,2-二硫醇 is 150.05 g/mol.
Where can I buy 3,3-二甲基丁烷-2,2-二硫醇?
You can request a quote for 3,3-二甲基丁烷-2,2-二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二甲基丁烷-2,2-二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基丁烷-2,2-二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.